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- W2029206880 abstract "We show that Grassmann algebra is an alternative tool for describing atomic group properties of large molecular systems by using the molecular fragments approach. We extend the bond index and charge fluctuation concepts to atomic groups and we connect them with the atomic group valence. We have calculated the valence, the bond indices and the total charge of some atomic groups, in order to show that these concepts can be considered as molecular invariants in the case of linear molecular systems." @default.
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- W2029206880 title "Molecules built up from atomic groups" @default.
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- W2029206880 doi "https://doi.org/10.1016/0166-1280(93)85029-x" @default.
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